3-chloro-4-(2-cyclohexylethyl)-1,2,4-triazole

C10H16ClN3 — CID 63385285

IUPAC3-chloro-4-(2-cyclohexylethyl)-1,2,4-triazole
SMILESClc1nncn1CCC1CCCCC1
InChIInChI=1S/C10H16ClN3/c11-10-13-12-8-14(10)7-6-9-4-2-1-3-5-9/h8-9H,1-7H2
InChIKeyRGZZQZNWOCNZBB-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.90
Rot. Bonds3

About 3-chloro-4-(2-cyclohexylethyl)-1,2,4-triazole

3-chloro-4-(2-cyclohexylethyl)-1,2,4-triazole (PubChem CID 63385285) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 3-chloro-4-(2-cyclohexylethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-4-(2-cyclohexylethyl)-1,2,4-triazole
PubChem CID63385285
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name3-chloro-4-(2-cyclohexylethyl)-1,2,4-triazole
SMILESClc1nncn1CCC1CCCCC1
InChIInChI=1S/C10H16ClN3/c11-10-13-12-8-14(10)7-6-9-4-2-1-3-5-9/h8-9H,1-7H2
InChIKeyRGZZQZNWOCNZBB-UHFFFAOYSA-N
XLogP2.90
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-cyclohexylethyl)-1,2,4-triazole?
The IUPAC name of 3-chloro-4-(2-cyclohexylethyl)-1,2,4-triazole (CID 63385285) is 3-chloro-4-(2-cyclohexylethyl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-4-(2-cyclohexylethyl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-4-(2-cyclohexylethyl)-1,2,4-triazole is Clc1nncn1CCC1CCCCC1.
What is the InChIKey of 3-chloro-4-(2-cyclohexylethyl)-1,2,4-triazole?
The InChIKey is RGZZQZNWOCNZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c11-10-13-12-8-14(10)7-6-9-4-2-1-3-5-9/h8-9H,1-7H2.
What are the key properties of 3-chloro-4-(2-cyclohexylethyl)-1,2,4-triazole?
3-chloro-4-(2-cyclohexylethyl)-1,2,4-triazole has a molecular weight of 213.71 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-cyclohexylethyl)-1,2,4-triazole is sourced from PubChem (CID 63385285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).